Molecule

ID:8452

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cl
Molecular Mass
154.63664
Exact Mass
154.05492803
Charge
0
InChI
InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3
InChIKey
UBQRAAXAHIKWRI-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c(c1)C)C
Isomeric Smiles
C(Cl)c1cc(C)c(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5873306
LogD (pH = 7.4)
3.5873306
Log P
3.5873306
Molar Refractivity
46.0073
Polarizability
17.512476
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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